ChemSpider 2D Image | 3-{1-[(Benzyloxy)carbonyl]piperidin-3-yl}-3-[(tert-butoxycarbonyl)amino]propanoic acid | C21H30N2O6

3-{1-[(Benzyloxy)carbonyl]piperidin-3-yl}-3-[(tert-butoxycarbonyl)amino]propanoic acid

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID21373543

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-{1-[(Benzyloxy)carbonyl]-3-piperidinyl}-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
3-{1-[(Benzyloxy)carbonyl]-3-piperidinyl}-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
3-{1-[(Benzyloxy)carbonyl]piperidin-3-yl}-3-[(tert-butoxycarbonyl)amino]propanoic acid
3-Piperidinepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-1-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
886362-36-3 [RN]
Acide 3-{1-[(benzyloxy)carbonyl]-3-pipéridinyl}-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
β-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-[(phenylmethoxy)carbonyl]-3-piperidinepropanoic acid
2-Hydroxy-3-phenyl-propanoic acid, methyl ester
3-(1-tert-Butoxycarbonylamino-2-carboxy-ethyl)-piperidine-1-carboxylic acid benzyl ester
3-(1-tert-butoxycarbonylamino-2-carboxy-ethyl)-piperidine-1-carboxylicacidbenzylester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 581.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.7±25.9 °C
Index of Refraction: 1.541
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 8.03
ACD/KOC (pH 5.5): 67.02
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 105 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

Click to predict properties on the Chemicalize site


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